CID 131760880
1-oleoyl-2-adrenoyl-3-nervonoyl-glycerol
Structural Information
- Molecular Formula
- C67H118O6
- SMILES
- CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-29,34,37-38,43,46,64H,4-16,18-19,21-24,30-33,35-36,39-42,44-45,47-63H2,1-3H3/b20-17-,28-25-,29-26-,37-34-,38-27-,46-43-/t64-/m0/s1
- InChIKey
- BYVJVAWYTVPJNF-MFNABLSTSA-N
- Compound name
- [(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-tetracos-15-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1019.9001 | 349.8 |
[M+Na]+ | 1041.8820 | 349.9 |
[M+NH4]+ | 1036.9266 | 351.6 |
[M+K]+ | 1057.8560 | 355.3 |
[M-H]- | 1017.8855 | 331.7 |
[M+Na-2H]- | 1039.8675 | 341.9 |
[M]+ | 1018.8923 | 346.4 |
[M]- | 1018.8933 | 346.4 |
Literature stripe
Patent stripe
No patent data available for this compound.